Spin distribution and hydrogen-bond effect in ferromagnetic alpha-phase crystal of 2-(2 ',5(')-dihydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide

doi:10.1063/1.2191497

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	Spin distribution and hydrogen-bond effect in ferromagnetic alpha-phase crystal of 2-(2 ',5(')-dihydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide
	Zhang, YS ; Yao, KL ; Liu, ZL ; Yu, LH ; Wang, XL
刊名	JOURNAL OF CHEMICAL PHYSICS
	2006-04-14
卷号	124 期号:14 页码:5
ISSN号	0021-9606
DOI	10.1063/1.2191497
通讯作者	Zhang, YS(zhangysthinker@hotmail.com)
英文摘要	The ferromagnetic phenyl nitronyl nitroxide derivate alpha-phase 2-(2('),5(')-dihydroxyphenyl)- 4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide has been studied by the electronic structure calculation based on the density functional theory. The result shows that the spin delocalization due to hyperconjugation effect plays an important role in the spin distribution and ferromagnetic coupling of the crystal.
WOS研究方向	Physics
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000236796700066
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/87110]
专题	金属研究所_中国科学院金属研究所
通讯作者	Zhang, YS
作者单位	1.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China 2.Huazhong Univ Sci & Technol, Dept Phys, Wuhan 430074, Peoples R China 3.Huazhong Univ Sci & Technol, State Key Lab Laser Technol, Wuhan 430074, Peoples R China
推荐引用方式 GB/T 7714	Zhang, YS,Yao, KL,Liu, ZL,et al. Spin distribution and hydrogen-bond effect in ferromagnetic alpha-phase crystal of 2-(2 ',5(')-dihydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide[J]. JOURNAL OF CHEMICAL PHYSICS,2006,124(14):5.
APA	Zhang, YS,Yao, KL,Liu, ZL,Yu, LH,&Wang, XL.(2006).Spin distribution and hydrogen-bond effect in ferromagnetic alpha-phase crystal of 2-(2 ',5(')-dihydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide.JOURNAL OF CHEMICAL PHYSICS,124(14),5.
MLA	Zhang, YS,et al."Spin distribution and hydrogen-bond effect in ferromagnetic alpha-phase crystal of 2-(2 ',5(')-dihydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy-3-oxide".JOURNAL OF CHEMICAL PHYSICS 124.14(2006):5.